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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 241564   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor IX


(Homo sapiens (Human))
BDBM241564
PNG
(US9409908, 196)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3cccnn3)cc2NC1=O
Show InChI InChI=1S/C33H29ClF2N6O2/c1-19-4-2-5-28(42-15-12-21(17-30(42)43)31-25(35)10-9-24(34)32(31)36)27-16-20(11-14-37-27)23-8-7-22(18-26(23)40-33(19)44)39-29-6-3-13-38-41-29/h3,6-11,13-14,16-19,28H,2,4-5,12,15H2,1H3,(H,39,41)(H,40,44)/t19-,28+/m1/s1
PDB
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UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
0.800n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair
Plasma kallikrein


(Homo sapiens (Human))
BDBM241564
PNG
(US9409908, 196)
Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2ccc(Nc3cccnn3)cc2NC1=O
Show InChI InChI=1S/C33H29ClF2N6O2/c1-19-4-2-5-28(42-15-12-21(17-30(42)43)31-25(35)10-9-24(34)32(31)36)27-16-20(11-14-37-27)23-8-7-22(18-26(23)40-33(19)44)39-29-6-3-13-38-41-29/h3,6-11,13-14,16-19,28H,2,4-5,12,15H2,1H3,(H,39,41)(H,40,44)/t19-,28+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
1.52 -52.4n/an/an/an/an/an/a37



Bristol-Myers Squibb Company

US Patent


Assay Description
Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...


US Patent US9409908 (2016)


BindingDB Entry DOI: 10.7270/Q27943K8
More data for this
Ligand-Target Pair